2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol

C11H17NO3 — CID 77130049

IUPAC2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol
SMILESCCOc1c(OC)cccc1C(N)CO
InChIInChI=1S/C11H17NO3/c1-3-15-11-8(9(12)7-13)5-4-6-10(11)14-2/h4-6,9,13H,3,7,12H2,1-2H3
InChIKeyWLCHHOWMOIKUOL-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.09
Rot. Bonds5

About 2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol

2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol (PubChem CID 77130049) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol
PubChem CID77130049
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol
SMILESCCOc1c(OC)cccc1C(N)CO
InChIInChI=1S/C11H17NO3/c1-3-15-11-8(9(12)7-13)5-4-6-10(11)14-2/h4-6,9,13H,3,7,12H2,1-2H3
InChIKeyWLCHHOWMOIKUOL-UHFFFAOYSA-N
XLogP1.09
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol
CID 66515135
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
(2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol
CID 66515873
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
2-amino-2-(2-ethyl-3-methoxyphenyl)ethanol
CID 55269244
2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 170893212
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol
CID 117468570
2-amino-2-(3-chloro-2-methoxyphenyl)ethanol
CID 82608026
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol?
The IUPAC name of 2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol (CID 77130049) is 2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol?
The canonical SMILES for 2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol is CCOc1c(OC)cccc1C(N)CO.
What is the InChIKey of 2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol?
The InChIKey is WLCHHOWMOIKUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-15-11-8(9(12)7-13)5-4-6-10(11)14-2/h4-6,9,13H,3,7,12H2,1-2H3.
What are the key properties of 2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol?
2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol has a molecular weight of 211.26 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol is sourced from PubChem (CID 77130049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).